Structure of PDB 6ik5 Chain B Binding Site BS01

Receptor Information
>6ik5 Chain B (length=705) Species: 4081 (Solanum lycopersicum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EFSVSYDDRAIIINGKRKILISGSIHYPRSTPQMWPDLIQKAKDGGLDVI
ETYVFWNGHEPSPGKYNFEGRYDLVRFIKMVQRAGLYVNLRIGPYVCAEW
NFGGFPVWLKYVPGMEFRTNNQPFKVAMQGFVQKIVNMMKSENLFESQGG
PIIMAQIENEYGPVEWEIGAPGKAYTKWAAQMAVGLKTGVPWIMCKQEDA
PDPVIDTCNGFYCEGFRPNKPYKPKMWTEVWTGWYTKFGGPIPQRPAEDI
AFSVARFVQNNGSFFNYYMYHGGTNFGRTSSGLFIATSYDYDAPLDEYGL
LNEPKYGHLRDLHKAIKLSEPALVSSYAAVTSLGSNQEAHVYRSKSGACA
AFLSNYDSRYSVKVTFQNRPYNLPPWSISILPDCKTAVYNTAQVNSQSSS
IKMTPAGGGLSWQSYNEETPTADDSDTLTANGLWEQKNVTRDSSDYLWYM
TNVNIASNEGFLKNGKDPYLTVMSAGHVLHVFVNGKLSGTVYGTLDNPKL
TYSGNVKLRAGINKISLLSVSVGLPNVGVHYDTWNAGVLGPVTLSGLNEG
SRNLAKQKWSYKVGLKGESLSLHSLSGSSSVEWVRGSLMAQKQPLTWYKA
TFNAPGGNDPLALDMASMGKGQIWINGEGVGRHWPGYIAQGDCSKCSYAG
TFNEKKCQTNCGQPSQRWYHVPRSWLKPSGNLLVVFEEWGGNPTGISLVR
RSRSA
Ligand information
Ligand IDGAL
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6-/m1/s1
InChIKeyWQZGKKKJIJFFOK-FPRJBGLDSA-N
SMILES
SoftwareSMILES
CACTVS 3.370OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
OpenEye OEToolkits 1.7.2C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
ACDLabs 12.01OC1C(O)C(OC(O)C1O)CO
OpenEye OEToolkits 1.7.2C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
FormulaC6 H12 O6
Namebeta-D-galactopyranose;
beta-D-galactose;
D-galactose;
galactose
ChEMBLCHEMBL300520
DrugBank
ZINCZINC000002597049
PDB chain6ik5 Chain B Residue 804 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6ik5 Substrate-recognition mechanism of tomato beta-galactosidase 4 using X-ray crystallography and docking simulation.
Resolution1.82 Å
Binding residue
(original residue number in PDB)		Y74 C118 A119 E120 N180 E181 E250 W255 Y289 Y312
Binding residue
(residue number reindexed from 1)		Y53 C97 A98 E99 N159 E160 E229 W234 Y268 Y291
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.23: beta-galactosidase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0004565 beta-galactosidase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
Biological Process
GO:0005975 carbohydrate metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6ik5, PDBe:6ik5, PDBj:6ik5
PDBsum6ik5
PubMed33011862
UniProtO81100

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